2-(2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium-4-yl)ethyl-diethyl-azanium dichloride

Systemtic Name: 2-(2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium-4-yl)ethyl-diethyl-azanium dichloride Openeye Name: 2-(2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium-4-yl)ethyl-diethyl-ammonium dichloride CAS Name: 2-(2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium-4-yl)ethyl-diethylammonium dichloride IUPAC Name: 2-(2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium-4-yl)ethyl-diethylazanium dichloride Traditional Name: 2-(2,2-dimethyl-1H-benz[f]isoquinolin-3-ium-4-yl)ethyl-diethyl-ammonium dichloride Formula: C21H30Cl2N2 MolecularWeight: 381.3823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=[NH+]C(CC2=C1C=CC3=CC=CC=C23)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC1=[NH+]C(CC2=C1C=CC3=CC=CC=C23)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H28N2.2ClH/c1-5-23(6-2)14-13-20-18-12-11-16-9-7-8-10-17(16)19(18)15-21(3,4)22-20;;/h7-12H,5-6,13-15H2,1-4H3;2*1H